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canSAR1154379
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NAMES
    SMILES
    Cc1ccc(/C=N/NC(=O)CC2CSC(N3N=C(c4ccccc4)CC3c3c(F)cccc3F)=N2)cc1
    InChI
    InChI=1S/C28H25F2N5OS/c1-18-10-12-19(13-11-18)16-31-33-26(36)14-21-17-37-28(32-21)35-25(27-22(29)8-5-9-23(27)30)15-24(34-35)20-6-3-2-4-7-20/h2-13,16,21,25H,14-15,17H2,1H3,(H,33,36)/b31-16+
    MOLECULAR FORMULA
    C28H25F2N5OS
    CROSS REFERENCES
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    canSAR1154379

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.17
    AlogP 5.44
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1154379.